2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide

C10H14ClN3O3S — CID 151093979

IUPAC2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)OC(C(N)=O)c1csc(NC(=O)CCl)n1
InChIInChI=1S/C10H14ClN3O3S/c1-5(2)17-8(9(12)16)6-4-18-10(13-6)14-7(15)3-11/h4-5,8H,3H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyMMSIKBFJEYXKLX-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.27
Rot. Bonds6

About 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide

2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide (PubChem CID 151093979) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound Name2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide
PubChem CID151093979
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)OC(C(N)=O)c1csc(NC(=O)CCl)n1
InChIInChI=1S/C10H14ClN3O3S/c1-5(2)17-8(9(12)16)6-4-18-10(13-6)14-7(15)3-11/h4-5,8H,3H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyMMSIKBFJEYXKLX-UHFFFAOYSA-N
XLogP1.27
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide?
The IUPAC name of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide (CID 151093979) is 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide?
The canonical SMILES for 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide is CC(C)OC(C(N)=O)c1csc(NC(=O)CCl)n1.
What is the InChIKey of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide?
The InChIKey is MMSIKBFJEYXKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-5(2)17-8(9(12)16)6-4-18-10(13-6)14-7(15)3-11/h4-5,8H,3H2,1-2H3,(H2,12,16)(H,13,14,15).
What are the key properties of 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide?
2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide has a molecular weight of 291.76 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 151093979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).